Figure 1
From: DINC: A new AutoDock-based protocol for docking large ligands
Docking example: PDB ID 2FDP. Docking of a large ligand, with 14 rotatable bonds, to beta-secretase. The conformation of the ligand from the structure of the complex deposited in the PDB (ID 2FDP) is shown in green color. (A) Top-scoring conformation computed using AutoDock's standard docking protocol, (B) Top-scoring conformation computed using DINC.